(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol

C10H13FO — CID 106880220

IUPAC(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
SMILESCc1cc(F)cc(C)c1[C@H](C)O
InChIInChI=1S/C10H13FO/c1-6-4-9(11)5-7(2)10(6)8(3)12/h4-5,8,12H,1-3H3/t8-/m0/s1
InChIKeyYYXPVWQRWUNPDZ-QMMMGPOBSA-N
MW168.21 g/mol
LogP2.50
Rot. Bonds1

About (1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol

(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol (PubChem CID 106880220) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is (1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
PubChem CID106880220
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
SMILESCc1cc(F)cc(C)c1[C@H](C)O
InChIInChI=1S/C10H13FO/c1-6-4-9(11)5-7(2)10(6)8(3)12/h4-5,8,12H,1-3H3/t8-/m0/s1
InChIKeyYYXPVWQRWUNPDZ-QMMMGPOBSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol
CID 84671170
(4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 106879405
1-(2-chloro-4,6-difluorophenyl)ethanol
CID 178189080
(2,6-dichlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879443
(4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879459
1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol
CID 106879533
2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene
CID 106880010
1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine
CID 106877607
1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol
CID 117369438
2-(1-chloro-4-methylpentyl)-5-fluoro-1,3-dimethylbenzene
CID 106879819
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol
CID 117291204
1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine
CID 106877205

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol?
The IUPAC name of (1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol (CID 106880220) is (1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol?
The canonical SMILES for (1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol is Cc1cc(F)cc(C)c1[C@H](C)O.
What is the InChIKey of (1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol?
The InChIKey is YYXPVWQRWUNPDZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13FO/c1-6-4-9(11)5-7(2)10(6)8(3)12/h4-5,8,12H,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol?
(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol has a molecular weight of 168.21 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol is sourced from PubChem (CID 106880220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).